(2S,3S)-3-(4-butoxyphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol

Systemtic Name: (2S,3S)-3-(4-butoxyphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3S)-3-(4-butoxyphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3S)-3-(4-butoxyphenyl)-2-phenyl-1-(1-pyrrolidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3S)-3-(4-butoxyphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3S)-3-(4-butoxyphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol Formula: C25H36NO2+ MolecularWeight: 382.55884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(CC)(C(C[NH+]2CCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@](CC)([C@H](C[NH+]2CCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C25H35NO2/c1-3-5-19-28-23-15-13-22(14-16-23)25(27,4-2)24(20-26-17-9-10-18-26)21-11-7-6-8-12-21/h6-8,11-16,24,27H,3-5,9-10,17-20H2,1-2H3/p+1/t24-,25-/m1/s1